Glycoside
...
GD152810

Name:
2-({1-[2,6-dihydroxy-5-methoxy-5-methyl-6-(propan-2-yl)-hexahydrofuro[3,2-b]furan-3-yl]-2-hydroxy-9a,11a-dimethyl-1H,2H,3H,3aH,5H,5aH,6H,7H,8H,9H,9aH,11H,11aH-cyclopenta[a]phenanthren-7-yl}oxy)-6-(hydroxymethyl)oxane-3,4,5-triol

Formula:
C36H56O12

Smiles:
COC1(C)OC2C(C3C(O)CC4C5=CCC6CC(OC7OC(CO)C(O)C(O)C7O)CCC6(C)C5=CCC43C)C(O)OC2C1(O)C(C)C

Aglycone:
COC1(C)OC2C(C3C(O)CC4C5=CCC6CC(O)CCC6(C)C5=CCC43C)C(O)OC2C1(O)C(C)C

Sugarmoiety:
OCC1OC(O)C(O)C(O)C1O

Other Identifiers

Properties
HBA: 12 RingCount: 7
HBD: 7 FractionCSP3: 0.89
AlogP: 1.12 Num_rotatable_bonds: 6
MolWt: 680.83 Num_heavy_atoms: 48
TPSA: 187.76 NumAromaticRings: 0

Unique Aglycone
AD60815
Formula: C30H46O7

Smiles:
COC1(C)OC2C(C3C(O)CC4C5=CCC6CC(O)CCC6(C)C5=CCC43C)C(O)OC2C1(O)C(C)C
HBA: 7 RingCount: 6
HBD: 4 FractionCSP3: 0.87
AlogP: 3.3 Num_rotatable_bonds: 3
MolWt: 518.69 Num_heavy_atoms: 37
TPSA: 108.61 NumAromaticRings: 0

Sugarmoiety
SD00003

OCC1OC(O)C(O)C(O)C1O